| 標題：Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor |
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| 學年 | 108 |
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| 學期 | 1 |
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| 出版（發表）日期 | 2019/12/01 |
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| 作品名稱 | Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor |
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| 作品名稱（其他語言） | |
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| 著者 | D. Guan; J. Zhou; Y. C. Huang; C. L. Dong; J. Q. Wang; W. Zhou; Z. Shao |
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| 單位 | |
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| 著錄名稱、卷期、頁數 | Nature Communications 10, 3755 |
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| 摘要 | Facile and reliable screening of cost-effective, high-performance and scalable electrocatalysts is key for energy conversion technologies such as water splitting. ABO3-δ perovskites, with rich constitutions and structures, have never been designed via activity descriptors for critical hydrogen evolution reaction (HER). Here, we apply coordination rationales to introduce A-site ionic electronegativity (AIE) as an efficient unifying descriptor to predict the HER activities of 13 cobalt-based perovskites. Compared with A-site structural or thermodynamic parameter, AIE endows the HER activity with the best volcano trend. (Gd0.5La0.5)BaCo2O5.5+δ predicted from an AIE value of ~2.33 exceeds the state-of-the-art Pt/C catalyst in electrode activity and stability. X-ray absorption and computational studies reveal that the peak HER activities at a moderate AIE value of ~2.33 can be associated with the optimal electronic states of active B-sites via inductive effect in perovskite structure (~200 nm depth), including Co valence, Co-O bond covalency, band gap and O 2p-band position. |
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| 關鍵字 | |
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| 語言 | 英文 |
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| ISSN | 2041-1723 |
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| 期刊性質 | 國外 |
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| 收錄於 | SCI; |
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| 產學合作 | |
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| 通訊作者 | |
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| 審稿制度 | 否 |
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| 國別 | 英國 |
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| 公開徵稿 | |
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| 出版型式 | ,電子版 |
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| 相關連結 | |
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